N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide

C13H25N3O2 — CID 79394037

IUPACN-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
SMILESCC(C)CCNC(=O)CNCCC(=O)NC1CC1
InChIInChI=1S/C13H25N3O2/c1-10(2)5-8-15-13(18)9-14-7-6-12(17)16-11-3-4-11/h10-11,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQXJAVESBSKSREW-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.41
Rot. Bonds9

About N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide

N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide (PubChem CID 79394037) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
PubChem CID79394037
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
SMILESCC(C)CCNC(=O)CNCCC(=O)NC1CC1
InChIInChI=1S/C13H25N3O2/c1-10(2)5-8-15-13(18)9-14-7-6-12(17)16-11-3-4-11/h10-11,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQXJAVESBSKSREW-UHFFFAOYSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 79394275
N-cyclopropyl-3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 62626302
N'-cyclododecyl-N-(3-methylbutyl)butanediamide
CID 3884403
N-cyclopropyl-3-[[2-(ethylamino)acetyl]amino]propanamide
CID 79400683
N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide
CID 79394119
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 62325687
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 47010650
N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
CID 79401221
N-cyclopropyl-3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide
CID 79393868
N-cyclopropyl-2-(3-hydroxybutylamino)acetamide
CID 64912481

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide (CID 79394037) is N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide is CC(C)CCNC(=O)CNCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is QXJAVESBSKSREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)5-8-15-13(18)9-14-7-6-12(17)16-11-3-4-11/h10-11,14H,3-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide?
N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 255.36 g/mol, XLogP of 0.41, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 79394037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).